BDBM50112181 CHEMBL3608687::US10030025, Compound 3::US10836768, Cpd no 3::US11731974, Compound 3::US9422299, 3::US9987274, Compound 3

SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(Cl)cc1

InChI Key InChIKey=ZMIOQWILBZBCHW-SECBINFHSA-N

Data  17 KI  13 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50112181   

TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

US Patent
LigandPNGBDBM50112181(CHEMBL3608687 | US10030025, Compound 3 | US1083676...)
Affinity DataKi:  19nMpH: 7.4Assay Description:The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

US Patent
LigandPNGBDBM50112181(CHEMBL3608687 | US10030025, Compound 3 | US1083676...)
Affinity DataKi:  19nMAssay Description:The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist3 H-SB222200 was assessed by an in vitro ra...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

US Patent
LigandPNGBDBM50112181(CHEMBL3608687 | US10030025, Compound 3 | US1083676...)
Affinity DataKi:  19nMAssay Description:The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist3 H-SB222200 was assessed by an in vitro ra...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

US Patent
LigandPNGBDBM50112181(CHEMBL3608687 | US10030025, Compound 3 | US1083676...)
Affinity DataKi:  19nMAssay Description:The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

US Patent
LigandPNGBDBM50112181(CHEMBL3608687 | US10030025, Compound 3 | US1083676...)
Affinity DataKi:  19nMAssay Description:Human NK-3: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

US Patent
LigandPNGBDBM50112181(CHEMBL3608687 | US10030025, Compound 3 | US1083676...)
Affinity DataKi:  19nMpH: 7.4Assay Description:The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to compe...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

US Patent
LigandPNGBDBM50112181(CHEMBL3608687 | US10030025, Compound 3 | US1083676...)
Affinity DataKi:  20nMAssay Description:Binding affinity to human recombinant NK3R by radioligand binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-K receptor(Homo sapiens (Human))
Ogeda

US Patent
LigandPNGBDBM50112181(CHEMBL3608687 | US10030025, Compound 3 | US1083676...)
Affinity DataKi: >3.00E+4nMAssay Description:The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membra...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSubstance-P receptor(Homo sapiens (Human))
Euroscreen

US Patent
LigandPNGBDBM50112181(CHEMBL3608687 | US10030025, Compound 3 | US1083676...)
Affinity DataKi: >3.00E+4nM ΔG°: >-6.17kcal/molepH: 7.4 T: 2°CAssay Description:The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membra...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSubstance-K receptor(Homo sapiens (Human))
Ogeda

US Patent
LigandPNGBDBM50112181(CHEMBL3608687 | US10030025, Compound 3 | US1083676...)
Affinity DataKi: >3.00E+4nM ΔG°: >-6.17kcal/molepH: 7.4 T: 2°CAssay Description:The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membra...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSubstance-P receptor(Homo sapiens (Human))
Euroscreen

US Patent
LigandPNGBDBM50112181(CHEMBL3608687 | US10030025, Compound 3 | US1083676...)
Affinity DataKi: >3.00E+4nMAssay Description:The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membra...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSubstance-P receptor(Homo sapiens (Human))
Euroscreen

US Patent
LigandPNGBDBM50112181(CHEMBL3608687 | US10030025, Compound 3 | US1083676...)
Affinity DataKi: >3.00E+4nMAssay Description:The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membra...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSubstance-K receptor(Homo sapiens (Human))
Ogeda

US Patent
LigandPNGBDBM50112181(CHEMBL3608687 | US10030025, Compound 3 | US1083676...)
Affinity DataKi: >3.00E+4nMAssay Description:Human NK-2 The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 recep...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSubstance-P receptor(Homo sapiens (Human))
Euroscreen

US Patent
LigandPNGBDBM50112181(CHEMBL3608687 | US10030025, Compound 3 | US1083676...)
Affinity DataKi: >3.00E+4nMAssay Description:Human NK-1: The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 rece...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSubstance-K receptor(Homo sapiens (Human))
Ogeda

US Patent
LigandPNGBDBM50112181(CHEMBL3608687 | US10030025, Compound 3 | US1083676...)
Affinity DataKi: >3.00E+4nM ΔG°: >-6.17kcal/molepH: 7.4 T: 2°CAssay Description:The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membra...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSubstance-P receptor(Homo sapiens (Human))
Euroscreen

US Patent
LigandPNGBDBM50112181(CHEMBL3608687 | US10030025, Compound 3 | US1083676...)
Affinity DataKi: >3.00E+4nM ΔG°: >-6.17kcal/molepH: 7.4 T: 2°CAssay Description:The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membra...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSubstance-K receptor(Homo sapiens (Human))
Ogeda

US Patent
LigandPNGBDBM50112181(CHEMBL3608687 | US10030025, Compound 3 | US1083676...)
Affinity DataKi: >3.00E+4nMAssay Description:The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membra...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Ogeda

US Patent
LigandPNGBDBM50112181(CHEMBL3608687 | US10030025, Compound 3 | US1083676...)
Affinity DataIC50:  6.60E+4nMAssay Description:The human ether-a-go-go related gene (hERG) encodes the inward rectifying voltage gated potassium channel in the heart (IKr) which is involved in car...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Ogeda

US Patent
LigandPNGBDBM50112181(CHEMBL3608687 | US10030025, Compound 3 | US1083676...)
Affinity DataIC50:  6.60E+4nMAssay Description:The human ether-a-go-go related gene (hERG) encodes the inward rectifying voltage gated potassium channel in the heart (Igr) which is involved in car...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

US Patent
LigandPNGBDBM50112181(CHEMBL3608687 | US10030025, Compound 3 | US1083676...)
Affinity DataIC50:  32nMAssay Description:Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for th...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Ogeda

US Patent
LigandPNGBDBM50112181(CHEMBL3608687 | US10030025, Compound 3 | US1083676...)
Affinity DataIC50:  6.60E+4nMAssay Description:The hERG inhibition study aims at quantifying the in vitro effects of compounds of the invention on the potassium-selective IKr current generated in ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

US Patent
LigandPNGBDBM50112181(CHEMBL3608687 | US10030025, Compound 3 | US1083676...)
Affinity DataIC50:  32nMAssay Description:Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 3A4(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50112181(CHEMBL3608687 | US10030025, Compound 3 | US1083676...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

US Patent
LigandPNGBDBM50112181(CHEMBL3608687 | US10030025, Compound 3 | US1083676...)
Affinity DataIC50:  32nMAssay Description:Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Ogeda

US Patent
LigandPNGBDBM50112181(CHEMBL3608687 | US10030025, Compound 3 | US1083676...)
Affinity DataIC50:  6.60E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50112181(CHEMBL3608687 | US10030025, Compound 3 | US1083676...)
Affinity DataIC50:  9.90E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50112181(CHEMBL3608687 | US10030025, Compound 3 | US1083676...)
Affinity DataIC50:  5.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50112181(CHEMBL3608687 | US10030025, Compound 3 | US1083676...)
Affinity DataIC50:  7.00E+3nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50112181(CHEMBL3608687 | US10030025, Compound 3 | US1083676...)
Affinity DataIC50:  8.80E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

US Patent
LigandPNGBDBM50112181(CHEMBL3608687 | US10030025, Compound 3 | US1083676...)
Affinity DataIC50:  32nMAssay Description:Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention...More data for this Ligand-Target Pair
In DepthDetails US Patent